Detailed information for compound 1296577

Basic information

Technical information
  • TDR Targets ID: 1296577
  • Name: N-(5-chloro-2-methoxyphenyl)-2-(thiophen-2-yl methylamino)acetamide; oxalic acid
  • MW: 400.834 | Formula: C16H17ClN2O6S
  • H donors: 4 H acceptors: 5 LogP: -0.02 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: OC(=O)C(=O)O.COc1ccc(cc1NC(=O)CNCc1cccs1)Cl
  • InChi: 1S/C14H15ClN2O2S.C2H2O4/c1-19-13-5-4-10(15)7-12(13)17-14(18)9-16-8-11-3-2-6-20-11;3-1(4)2(5)6/h2-7,16H,8-9H2,1H3,(H,17,18);(H,3,4)(H,5,6)
  • InChiKey: XJBFNPVTQLOMHY-UHFFFAOYSA-N  

Network

Hover on a compound node to display the structore

Synonyms

  • N-(5-chloro-2-methoxy-phenyl)-2-(2-thienylmethylamino)acetamide; oxalic acid
  • N-(5-chloro-2-methoxyphenyl)-2-(2-thienylmethylamino)acetamide; oxalic acid
  • N-(5-chloro-2-methoxy-phenyl)-2-(thiophen-2-ylmethylamino)ethanamide; ethanedioic acid
  • T5221216

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens lysine (K)-specific demethylase 4A Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus multilocularis Transcription factor, JmjC domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Loa Loa (eye worm) jmjC domain-containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Schistosoma japonicum expressed protein Get druggable targets OG5_127917 All targets in OG5_127917
Echinococcus granulosus Transcription factor JmjC domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Plasmodium yoelii hypothetical protein Get druggable targets OG5_127917 All targets in OG5_127917
Echinococcus multilocularis jumonji domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127917 All targets in OG5_127917
Schistosoma japonicum JmjC domain-containing histone demethylation protein 3C, putative Get druggable targets OG5_127917 All targets in OG5_127917
Brugia malayi jmjC domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Schistosoma mansoni jumonji domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Candida albicans one of two closely related potential jumonji-like transcription factor genes similar to S. cerevisiae RPH1 (YER169W) damage-resp Get druggable targets OG5_127917 All targets in OG5_127917
Schistosoma japonicum Probable JmjC domain-containing histone demethylation protein 3B, putative Get druggable targets OG5_127917 All targets in OG5_127917
Candida albicans one of two closely related potential jumonji-like transcription factor genes similar to S. cerevisiae RPH1 (YER169W) damage-resp Get druggable targets OG5_127917 All targets in OG5_127917
Echinococcus granulosus jumonji domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Schistosoma japonicum expressed protein Get druggable targets OG5_127917 All targets in OG5_127917
Candida albicans one of two closely related potential jumonji-like transcription factor genes similar to S. cerevisiae RPH1 (YER169W) damage-resp Get druggable targets OG5_127917 All targets in OG5_127917
Candida albicans one of two closely related potential jumonji-like transcription factor genes similar to S. cerevisiae RPH1 (YER169W) damage-resp Get druggable targets OG5_127917 All targets in OG5_127917

By sequence similarity to non orthologous known druggable targets
No druggable targets predicted by sequence similarity

Obtained from network model

Ranking Plot


Putative Targets List


Species Potential target Raw Global Species
Echinococcus granulosus lysine specific demethylase 5A 0.0043 0.0408 0.0408
Loa Loa (eye worm) hypothetical protein 0.0035 0.0293 0.0565
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.005 0.0515 0.0993
Trichomonas vaginalis ran, putative 0.0023 0.0104 0.3556
Leishmania major hypothetical protein, conserved 0.0035 0.0293 0.4154
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.005 0.0515 0.0515
Entamoeba histolytica hypothetical protein 0.0025 0.014 0.4708
Loa Loa (eye worm) beta-lactamase 0.0035 0.0293 0.0565
Trichomonas vaginalis D-aminoacylase, putative 0.0035 0.0293 1
Echinococcus multilocularis geminin 0.0164 0.2281 0.2281
Schistosoma mansoni transcription factor LCR-F1 0.0036 0.0298 0.0608
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0062 0.0706 1
Brugia malayi MH1 domain containing protein 0.0024 0.0119 0.023
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0225 0.3228 1
Echinococcus multilocularis snurportin 1 0.0333 0.4906 0.4906
Echinococcus multilocularis mothers against decapentaplegic 5 0.0024 0.0119 0.0119
Loa Loa (eye worm) transcription factor SMAD2 0.0351 0.5187 1
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0115 0.1533 0.1533
Trichomonas vaginalis penicillin-binding protein, putative 0.0035 0.0293 1
Loa Loa (eye worm) jmjC domain-containing protein 0.0073 0.0873 0.1684
Loa Loa (eye worm) PHD-finger family protein 0.0035 0.0293 0.0566
Loa Loa (eye worm) jmjC domain-containing protein 0.0043 0.0408 0.0787
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0025 0.014 0.4789
Brugia malayi jmjC domain containing protein 0.0043 0.0408 0.0787
Echinococcus granulosus beta LACTamase domain containing family member 0.0035 0.0293 0.0293
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0062 0.0706 1
Toxoplasma gondii HEAT repeat-containing protein 0.0031 0.0232 0.7901
Trypanosoma cruzi hypothetical protein, conserved 0.0035 0.0293 0.4154
Plasmodium vivax hypothetical protein, conserved 0.0035 0.0293 0.9995
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative 0.0023 0.0104 0.1477
Leishmania major cathepsin L-like protease 0.0062 0.0706 1
Loa Loa (eye worm) MH2 domain-containing protein 0.0024 0.0119 0.023
Schistosoma mansoni hypothetical protein 0.0333 0.4906 1
Schistosoma mansoni cellular tumor antigen P53 0.0097 0.1249 0.2546
Brugia malayi MH2 domain containing protein 0.0024 0.0119 0.023
Mycobacterium leprae Probable lipase LipE 0.0035 0.0293 0.5
Echinococcus multilocularis jumonji domain containing protein 0.0049 0.0507 0.0507
Loa Loa (eye worm) GTP-binding nuclear protein RAN/TC4 0.0023 0.0104 0.0201
Entamoeba histolytica hypothetical protein 0.0036 0.0298 1
Schistosoma mansoni hypothetical protein 0.0164 0.2281 0.465
Brugia malayi hypothetical protein 0.0036 0.0298 0.0575
Plasmodium vivax importin-beta 2, putative 0.0031 0.0232 0.7901
Loa Loa (eye worm) hypothetical protein 0.0031 0.0232 0.0447
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0035 0.0293 0.0565
Brugia malayi MH1 domain containing protein 0.0024 0.0119 0.023
Echinococcus multilocularis TGF beta signal transducer SmadC 0.0024 0.0119 0.0119
Echinococcus granulosus jumonji domain containing protein 0.0049 0.0507 0.0507
Echinococcus multilocularis PHD finger protein rhinoceros 0.0035 0.0293 0.0293
Brugia malayi jmjC domain containing protein 0.0115 0.1533 0.2955
Mycobacterium ulcerans beta-lactamase 0.0035 0.0293 0.5
Trypanosoma brucei importin beta-1 subunit, putative 0.0031 0.0232 0.212
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0062 0.0706 1
Onchocerca volvulus 0.0097 0.1249 1
Trypanosoma brucei hypothetical protein, conserved 0.0035 0.0293 0.3141
Mycobacterium ulcerans esterase/lipase LipP 0.0035 0.0293 0.5
Brugia malayi beta-lactamase family protein 0.0035 0.0293 0.0565
Brugia malayi MH2 domain containing protein 0.0351 0.5187 1
Loa Loa (eye worm) hypothetical protein 0.0097 0.1249 0.2408
Schistosoma mansoni smad1 5 8 and 0.0024 0.0119 0.0243
Echinococcus granulosus importin subunit beta 1 0.0031 0.0232 0.0232
Schistosoma mansoni jumonji/arid domain-containing protein 0.0043 0.0408 0.0832
Schistosoma mansoni jumonji domain containing protein 0.0092 0.1166 0.2377
Mycobacterium leprae conserved hypothetical protein 0.0035 0.0293 0.5
Leishmania major GTP-binding protein, putative 0.0023 0.0104 0.1477
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0062 0.0706 1
Loa Loa (eye worm) hypothetical protein 0.0035 0.0293 0.0565
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.005 0.0515 0.105
Brugia malayi GTP-binding nuclear protein RAN/TC4 0.0023 0.0104 0.0201
Trichomonas vaginalis D-aminoacylase, putative 0.0035 0.0293 1
Leishmania major importin beta-1 subunit, putative 0.0025 0.014 0.1989
Entamoeba histolytica hypothetical protein 0.0036 0.0298 1
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative 0.0023 0.0104 0.1477
Echinococcus multilocularis beta LACTamase domain containing family member 0.0035 0.0293 0.0293
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0062 0.0706 1
Trichomonas vaginalis esterase, putative 0.0035 0.0293 1
Trypanosoma cruzi importin beta-1 subunit, putative 0.0025 0.014 0.1989
Trichomonas vaginalis D-aminoacylase, putative 0.0035 0.0293 1
Schistosoma mansoni smad1 5 8 and 0.0024 0.0119 0.0243
Schistosoma mansoni hypothetical protein 0.0035 0.0293 0.0598
Onchocerca volvulus 0.0035 0.0293 0.2348
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0025 0.014 0.4789
Onchocerca volvulus 0.0035 0.0293 0.2348
Echinococcus multilocularis Smad4 0.0024 0.0119 0.0119
Toxoplasma gondii PHD-finger domain-containing protein 0.0035 0.0293 1
Brugia malayi RNA, U transporter 1 0.0089 0.1123 0.2164
Loa Loa (eye worm) hypothetical protein 0.0035 0.0293 0.0565
Onchocerca volvulus 0.0035 0.0293 0.2348
Brugia malayi Smad1 0.0024 0.0119 0.023
Schistosoma mansoni smad 0.0024 0.0119 0.0243
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.005 0.0515 0.0515
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0062 0.0706 1
Toxoplasma gondii GTP-binding nuclear protein ran/tc4 0.0023 0.0104 0.3554
Plasmodium falciparum GTP-binding nuclear protein RAN/TC4 0.0023 0.0104 0.3554
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.005 0.0515 0.105
Plasmodium falciparum phd finger protein, putative 0.0035 0.0293 1
Echinococcus multilocularis smad 0.0024 0.0119 0.0119
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0333 0.4906 0.9459
Leishmania major cathepsin L-like protease 0.0062 0.0706 1
Loa Loa (eye worm) hypothetical protein 0.006 0.0683 0.1316
Plasmodium falciparum importin beta, putative 0.0031 0.0232 0.7901
Trypanosoma cruzi cysteine peptidase, putative 0.0062 0.0706 1
Echinococcus granulosus peregrin 0.0035 0.0293 0.0293
Brugia malayi PHD-finger family protein 0.0035 0.0293 0.0566
Trypanosoma brucei importin beta-1 subunit, putative 0.0031 0.0232 0.212
Echinococcus granulosus Smad4 0.0024 0.0119 0.0119
Plasmodium vivax hypothetical protein, conserved 0.0035 0.0293 1
Mycobacterium ulcerans lipase LipD 0.0035 0.0293 0.5
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.005 0.0515 0.0515
Schistosoma mansoni ran 0.0023 0.0104 0.0213
Schistosoma mansoni hypothetical protein 0.0164 0.2281 0.465
Brugia malayi MH2 domain containing protein 0.0024 0.0119 0.023
Schistosoma mansoni ran 0.0023 0.0104 0.0213
Loa Loa (eye worm) Smad1 0.0024 0.0119 0.023
Brugia malayi Bromodomain containing protein 0.0035 0.0293 0.0566
Trypanosoma cruzi cysteine peptidase, clan CA, family C1, cathepsin L-like, putative 0.0057 0.0623 0.8824
Echinococcus granulosus TGF beta signal transducer SmadC 0.0024 0.0119 0.0119
Trypanosoma cruzi cysteine peptidase, putative 0.0062 0.0706 1
Loa Loa (eye worm) hypothetical protein 0.0035 0.0293 0.0565
Loa Loa (eye worm) hypothetical protein 0.0035 0.0293 0.0565
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0062 0.0706 1
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0036 0.0298 0.0298
Echinococcus multilocularis peregrin 0.0035 0.0293 0.0293
Trypanosoma cruzi hypothetical protein, conserved 0.0035 0.0293 0.4154
Trypanosoma cruzi cysteine peptidase, putative 0.0062 0.0706 1
Loa Loa (eye worm) hypothetical protein 0.0035 0.0293 0.0566
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0036 0.0298 0.0298
Schistosoma mansoni Smad4 0.0024 0.0119 0.0243
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.005 0.0515 0.105
Trypanosoma cruzi major cysteine proteinase, putative 0.0049 0.0501 0.7098
Toxoplasma gondii PHD-finger domain-containing protein 0.0035 0.0293 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.005 0.0515 0.0515
Loa Loa (eye worm) MH1 domain-containing protein 0.0024 0.0119 0.023
Echinococcus granulosus GTP binding nuclear protein Ran 0.0023 0.0104 0.0104
Schistosoma mansoni bromodomain-containing nuclear protein 1 brd1 0.0035 0.0293 0.0598
Entamoeba histolytica hypothetical protein 0.0036 0.0298 1
Trichomonas vaginalis importin beta-1, putative 0.0025 0.014 0.4789
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0035 0.0293 0.0598
Echinococcus granulosus mothers against decapentaplegic 5 0.0024 0.0119 0.0119
Echinococcus granulosus smad 0.0024 0.0119 0.0119
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0062 0.0706 1
Trichomonas vaginalis penicillin-binding protein, putative 0.0035 0.0293 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0062 0.0706 1
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0115 0.1533 0.1533
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0035 0.0293 0.5
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0035 0.0293 0.0565
Mycobacterium ulcerans hypothetical protein 0.0035 0.0293 0.5
Loa Loa (eye worm) MH2 domain-containing protein 0.0351 0.5187 1
Trypanosoma cruzi cruzipain precursor, putative 0.0062 0.0706 1
Schistosoma mansoni hypothetical protein 0.0036 0.0298 0.0608
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0035 0.0293 0.0598
Leishmania major cathepsin L-like protease 0.0062 0.0706 1
Toxoplasma gondii ABC1 family protein 0.0035 0.0293 0.9995
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0062 0.0706 1
Schistosoma mansoni smad1 5 8 and 0.0024 0.0119 0.0243
Schistosoma mansoni importin beta-1 0.0031 0.0232 0.0473
Echinococcus granulosus snurportin 1 0.0333 0.4906 0.4906
Echinococcus granulosus geminin 0.0164 0.2281 0.2281
Plasmodium vivax GTP-binding nuclear protein RAN/TC4, putative 0.0023 0.0104 0.3554
Entamoeba histolytica Ran family GTPase 0.0023 0.0104 0.3495
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0062 0.0706 1
Brugia malayi beta-lactamase family protein 0.0035 0.0293 0.0565
Echinococcus multilocularis lysine specific demethylase 5A 0.0043 0.0408 0.0408
Schistosoma mansoni jumonji/arid domain-containing protein 0.0043 0.0408 0.0832
Brugia malayi beta-lactamase 0.0035 0.0293 0.0565
Brugia malayi Importin beta-1 subunit 0.0031 0.0232 0.0447
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.005 0.0515 0.0993
Loa Loa (eye worm) hypothetical protein 0.0035 0.0293 0.0565
Echinococcus multilocularis importin subunit beta 1 0.0031 0.0232 0.0232
Onchocerca volvulus Alhambra homolog 0.0035 0.0293 0.2349
Echinococcus granulosus PHD finger protein rhinoceros 0.0035 0.0293 0.0293
Schistosoma mansoni TGF-beta signal transducer Smad2 0.0024 0.0119 0.0243
Echinococcus multilocularis GTP binding nuclear protein Ran 0.0023 0.0104 0.0104
Entamoeba histolytica hypothetical protein 0.0036 0.0298 1
Giardia lamblia PHD finger protein 15 0.0035 0.0293 1

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 4.4668 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of JMJD2A-Tudor Domain. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504402] ChEMBL. No reference
Potency (functional) 22.3872 uM PUBCHEM_BIOASSAY: HTS for Inhibitors of HP1-beta Chromodomain Interactions with Methylated Histone Tails. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488962] ChEMBL. No reference
Potency (functional) = 28.1838 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Fructose-1,6-bisphosphate Aldolase from Giardia Lamblia. (Class of assay: confirmatory) [Related pubchem assays: 2472, 2464 ] ChEMBL. No reference
Potency (functional) 31.6228 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 39.8107 uM PubChem BioAssay. qHTS of PTHR Inhibitors: Primary Screen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 50.1187 uM PubChem BioAssay. qHTS for Antagonist of cAMP-regulated guanine nucleotide exchange factor 2 (EPAC2): primary screen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 70.7946 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

We have no records of whole-cell/tissue assays done with this compound What does this mean?

Many chemical entities in TDR Targets come from high-throughput screenings with whole cells or tissue samples, and not all assayed compounds have been tested against a single a single target protein, probably because they get ruled out during screening process. Even if these compounds may have not been of interest in the original screening, they may come as interesting leads for other screening assays. Furthermore, we may be able to propose drug-target associations using chemical similarities and network patterns.

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?
In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.
 
In any case, if you have information about papers containing relevant validation data for this target, please log in using your TDR Targets username and password and send them to us using the corresponding form in this page (only visible to registered users) or contact us.

External resources for this compound

Bibliographic References

No literature references available for this target.

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